SCHEMBL2728396

SCHEMBL2728396

CC(CC(c1ccccc1)c1ccccc1)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.42
CACNA1F O60840 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
CACNA1D Q01668 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
MIF P14174 3/20 0.41
HTR2A P28223 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 3/20 0.36
TRPA1 O75762 2/20 0.36
AOC3 Q16853 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5892152 0.85 MIF (0.43) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL11812711 0.80 HTR2A (0.38) HRH1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL6583 0.75 MIF (0.63) CHRM2ADRA1AMIFHTR2ATAAR1
SCHEMBL7980 0.75 MIF (0.63) CHRM2ADRA1AMIFHTR2ATAAR1
SCHEMBL211770 0.75 MIF (0.63) CHRM2ADRA1AMIFHTR2ATAAR1
SCHEMBL2729032 0.74 SLC6A2 (0.48) ADRA2BADRA1AOPRK1SLC6A3KCNH2
SCHEMBL21056125 0.74 SLC6A2 (0.48) ADRA2BADRA1AOPRK1SLC6A3KCNH2
SCHEMBL27515553 0.74 SLC6A2 (0.48) ADRA2BADRA1AOPRK1SLC6A3KCNH2
SCHEMBL5918667 0.74 CYP3A4 (0.39) HRH1CHRM2CHRM1ADRA2BADRA1A
SCHEMBL4640624 0.74 MIF (0.46) HRH1MIFHTR2ATAAR1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434884-B2 Flame-retarding oligomeric brominated urethane compositions LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-09-06 US disclosed
EP-2632967-A1 FLAME-RETARDING OLIGOMERIC BROMINATED URETHANE COMPOSITIONS Lubrizol Advanced Materials, Inc. (US) 2013-09-04 EP disclosed
US-20130217286-A1 FLAME-RETARDING OLIGOMERIC BROMINATED URETHANE COMPOSITIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-08-22 US disclosed
WO-2012058538-A1 FLAME-RETARDING OLIGOMERIC BROMINATED URETHANE COMPOSITIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2012-05-03 WO disclosed